H4M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3A | PA | sing | 1.61Å | 1.52Å | |
| C5J | O5J | sing | 1.43Å | 1.42Å | |
| C5J | C4J | sing | 1.53Å | 1.53Å | |
| PA | O1A | doub | 1.48Å | 1.52Å | |
| PA | O5J | sing | 1.61Å | 1.62Å | |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| C4J | O4J | sing | 1.43Å | 1.43Å | |
| C4J | C3J | sing | 1.54Å | 1.53Å | |
| O4J | C1J | sing | 1.44Å | 1.42Å | |
| CX5 | OX5 | sing | 1.43Å | 1.42Å | |
| CX5 | CX4 | sing | 1.53Å | 1.51Å | |
| OX5 | C1J | sing | 1.43Å | 1.43Å | |
| C1J | C2J | sing | 1.55Å | 1.53Å | |
| CX4 | OX4 | sing | 1.43Å | 1.45Å | |
| CX4 | CX3 | sing | 1.53Å | 1.50Å | |
| C3J | O3J | sing | 1.43Å | 1.43Å | |
| C3J | C2J | sing | 1.55Å | 1.52Å | |
| CX3 | OX3 | sing | 1.43Å | 1.42Å | |
| CX3 | CX2 | sing | 1.53Å | 1.50Å | |
| C2J | O2J | sing | 1.43Å | 1.45Å | |
| OX2 | CX2 | sing | 1.43Å | 1.43Å | |
| CX2 | CX1 | sing | 1.53Å | 1.51Å | |
| CX1 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N10 | sing | 1.40Å | 1.42Å | |
| N10 | C10 | sing | 1.49Å | 1.45Å | |
| N10 | C9 | sing | 1.49Å | 1.47Å | |
| C10 | N5 | sing | 1.46Å | 1.45Å | |
| OH4 | C4 | doub | 1.22Å | 1.25Å | |
| C9 | C9M | sing | 1.53Å | 1.52Å | |
| C9 | C6 | sing | 1.54Å | 1.54Å | |
| N5 | C6 | sing | 1.48Å | 1.46Å | |
| N5 | C4A | sing | 1.40Å | 1.39Å | |
| C4 | C4A | sing | 1.39Å | 1.38Å | |
| C4 | N3 | sing | 1.35Å | 1.36Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C4A | C8A | doub | 1.39Å | 1.40Å | |
| N3 | C2 | sing | 1.36Å | 1.34Å | |
| C7 | C7M | sing | 1.53Å | 1.52Å | |
| C7 | N8 | sing | 1.47Å | 1.45Å | |
| C8A | N8 | sing | 1.38Å | 1.35Å | |
| C8A | N1 | sing | 1.34Å | 1.35Å | |
| C2 | N1 | doub | 1.32Å | 1.34Å | |
| C2 | NA2 | sing | 1.37Å | 1.36Å | |
| NA2 | H1 | sing | 0.97Å | 1.00Å | |
| NA2 | H2 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7M | H8 | sing | 1.09Å | 1.10Å | |
| C7M | H9 | sing | 1.09Å | 1.10Å | |
| C7M | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9M | H12 | sing | 1.09Å | 1.10Å | |
| C9M | H13 | sing | 1.09Å | 1.10Å | |
| C9M | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| CX1 | H21 | sing | 1.09Å | 1.10Å | |
| CX1 | H22 | sing | 1.09Å | 1.10Å | |
| CX2 | H23 | sing | 1.09Å | 1.10Å | |
| CX3 | H24 | sing | 1.09Å | 1.10Å | |
| CX4 | H25 | sing | 1.09Å | 1.10Å | |
| CX5 | H26 | sing | 1.09Å | 1.10Å | |
| CX5 | H27 | sing | 1.09Å | 1.10Å | |
| OX2 | H28 | sing | 0.97Å | 0.95Å | |
| OX3 | H29 | sing | 0.97Å | 0.95Å | |
| OX4 | H30 | sing | 0.97Å | 0.95Å | |
| C5J | H31 | sing | 1.09Å | 1.10Å | |
| C5J | H32 | sing | 1.09Å | 1.10Å | |
| C4J | H33 | sing | 1.09Å | 1.10Å | |
| C3J | H34 | sing | 1.09Å | 1.10Å | |
| O3J | H35 | sing | 0.97Å | 0.95Å | |
| C2J | H36 | sing | 1.09Å | 1.10Å | |
| O2J | H37 | sing | 0.97Å | 0.95Å | |
| C1J | H38 | sing | 1.09Å | 1.10Å | |
| O2A | H40 | sing | 0.97Å | 0.95Å | |
| O3A | CP1 | sing | 1.43Å | 32.37Å | |
| CP1 | CP3 | sing | 1.53Å | 0.00Å | |
| CP1 | CP2 | sing | 1.51Å | 0.00Å | |
| N8 | H4 | sing | 0.97Å | 1.00Å | |
| CP1 | H5 | sing | 1.09Å | 0.00Å | |
| CP3 | H39 | sing | 1.09Å | 0.00Å | |
| CP3 | H41 | sing | 1.09Å | 0.00Å | |
| CP2 | OP1 | doub | 1.21Å | 0.00Å | |
| CP2 | OP2 | sing | 1.34Å | 0.00Å | |
| CP3 | CP4 | sing | 1.53Å | 0.00Å | |
| CP4 | CP5 | sing | 1.51Å | 0.00Å | |
| CP5 | OP5 | doub | 1.21Å | 0.00Å | |
| CP5 | OPX | sing | 1.34Å | 0.00Å | |
| OP2 | H42 | sing | 0.97Å | 0.00Å | |
| CP4 | H43 | sing | 1.09Å | 0.00Å | |
| CP4 | H44 | sing | 1.09Å | 0.00Å | |
| OPX | H45 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3A | PA | O1A | 112.9° | 109.4° |
| O3A | PA | O5J | 104.9° | 109.4° |
| O3A | PA | O2A | 115.7° | 109.4° |
| PA | O3A | CP1 | 93.4° | 123.0° |
| O5J | C5J | C4J | 111.3° | 109.5° |
| C5J | O5J | PA | 121.1° | 123.0° |
| O5J | C5J | H31 | 109.0° | 109.5° |
| O5J | C5J | H32 | 109.0° | 109.5° |
| C5J | C4J | O4J | 110.3° | 109.9° |
| C5J | C4J | C3J | 115.5° | 109.8° |
| C4J | C5J | H31 | 109.0° | 109.4° |
| C4J | C5J | H32 | 109.0° | 109.5° |
| C5J | C4J | H33 | 107.8° | 109.8° |
| O1A | PA | O5J | 105.2° | 109.5° |
| O1A | PA | O2A | 115.1° | 109.5° |
| O5J | PA | O2A | 101.0° | 109.5° |
| PA | O2A | H40 | 109.5° | 114.0° |
| O4J | C4J | C3J | 106.3° | 107.6° |
| C4J | O4J | C1J | 110.2° | 110.0° |
| O4J | C4J | H33 | 109.1° | 109.9° |
| C4J | C3J | O3J | 110.0° | 110.9° |
| C4J | C3J | C2J | 105.4° | 102.2° |
| C3J | C4J | H33 | 107.8° | 109.9° |
| C4J | C3J | H34 | 111.1° | 110.8° |
| O4J | C1J | OX5 | 106.7° | 110.3° |
| O4J | C1J | C2J | 104.9° | 105.1° |
| O4J | C1J | H38 | 110.9° | 110.3° |
| OX5 | CX5 | CX4 | 111.7° | 109.4° |
| CX5 | OX5 | C1J | 108.2° | 114.0° |
| OX5 | CX5 | H26 | 108.9° | 109.5° |
| OX5 | CX5 | H27 | 108.9° | 109.5° |
| CX5 | CX4 | OX4 | 120.9° | 109.5° |
| CX5 | CX4 | CX3 | 123.6° | 109.5° |
| CX5 | CX4 | H25 | 92.6° | 109.5° |
| CX4 | CX5 | H26 | 108.9° | 109.4° |
| CX4 | CX5 | H27 | 108.9° | 109.5° |
| OX5 | C1J | C2J | 114.1° | 110.3° |
| OX5 | C1J | H38 | 110.7° | 110.3° |
| C1J | C2J | C3J | 102.0° | 101.0° |
| C1J | C2J | O2J | 114.2° | 111.1° |
| C1J | C2J | H36 | 108.6° | 111.1° |
| C2J | C1J | H38 | 109.3° | 110.4° |
| OX4 | CX4 | CX3 | 114.9° | 109.5° |
| OX4 | CX4 | H25 | 92.7° | 109.5° |
| CX4 | OX4 | H30 | 109.5° | 114.0° |
| CX4 | CX3 | OX3 | 115.3° | 109.4° |
| CX4 | CX3 | CX2 | 98.0° | 109.5° |
| CX4 | CX3 | H24 | 110.8° | 109.5° |
| CX3 | CX4 | H25 | 92.7° | 109.5° |
| O3J | C3J | C2J | 106.4° | 110.9° |
| O3J | C3J | H34 | 112.6° | 110.8° |
| C3J | O3J | H35 | 109.5° | 114.0° |
| C3J | C2J | O2J | 113.2° | 111.1° |
| C2J | C3J | H34 | 111.2° | 111.0° |
| C3J | C2J | H36 | 108.8° | 111.1° |
| OX3 | CX3 | CX2 | 109.2° | 109.5° |
| OX3 | CX3 | H24 | 112.0° | 109.4° |
| CX3 | OX3 | H29 | 109.5° | 114.0° |
| CX3 | CX2 | OX2 | 105.1° | 109.4° |
| CX3 | CX2 | CX1 | 108.8° | 109.5° |
| CX3 | CX2 | H23 | 109.8° | 109.5° |
| CX2 | CX3 | H24 | 110.7° | 109.6° |
| O2J | C2J | H36 | 109.7° | 111.0° |
| C2J | O2J | H37 | 109.5° | 114.0° |
| OX2 | CX2 | CX1 | 112.4° | 109.5° |
| OX2 | CX2 | H23 | 110.8° | 109.5° |
| CX2 | OX2 | H28 | 109.5° | 114.0° |
| CX2 | CX1 | C11 | 114.0° | 109.5° |
| CX2 | CX1 | H21 | 108.3° | 109.5° |
| CX2 | CX1 | H22 | 108.3° | 109.5° |
| CX1 | CX2 | H23 | 109.8° | 109.5° |
| CX1 | C11 | C16 | 118.6° | 119.9° |
| CX1 | C11 | C12 | 121.6° | 119.9° |
| C11 | CX1 | H21 | 108.3° | 109.4° |
| C11 | CX1 | H22 | 108.4° | 109.5° |
| C16 | C11 | C12 | 119.7° | 120.1° |
| C11 | C16 | C15 | 120.2° | 120.1° |
| C11 | C16 | H20 | 119.9° | 119.9° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C11 | C12 | H17 | 120.0° | 120.0° |
| C16 | C15 | C14 | 121.1° | 119.9° |
| C16 | C15 | H19 | 119.5° | 120.0° |
| C15 | C16 | H20 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C13 | C12 | H17 | 120.0° | 120.0° |
| C12 | C13 | H18 | 119.9° | 120.1° |
| C15 | C14 | C13 | 118.8° | 119.8° |
| C15 | C14 | N10 | 118.9° | 120.0° |
| C14 | C15 | H19 | 119.4° | 120.1° |
| C13 | C14 | N10 | 122.3° | 120.1° |
| C14 | C13 | H18 | 119.9° | 120.0° |
| C14 | N10 | C10 | 124.0° | 111.0° |
| C14 | N10 | C9 | 124.6° | 111.0° |
| C10 | N10 | C9 | 105.9° | 103.4° |
| N10 | C10 | N5 | 109.9° | 106.6° |
| N10 | C10 | H15 | 109.4° | 110.1° |
| N10 | C10 | H16 | 109.4° | 110.1° |
| N10 | C9 | C9M | 111.9° | 110.8° |
| N10 | C9 | C6 | 104.2° | 102.3° |
| N10 | C9 | H11 | 110.3° | 111.0° |
| C10 | N5 | C6 | 104.6° | 107.9° |
| C10 | N5 | C4A | 126.2° | 130.4° |
| N5 | C10 | H15 | 109.4° | 110.1° |
| N5 | C10 | H16 | 109.4° | 110.0° |
| OH4 | C4 | C4A | 123.2° | 120.8° |
| OH4 | C4 | N3 | 117.8° | 120.8° |
| C9M | C9 | C6 | 111.5° | 110.8° |
| C9M | C9 | H11 | 109.5° | 110.8° |
| C9 | C9M | H12 | 109.5° | 109.5° |
| C9 | C9M | H13 | 109.5° | 109.4° |
| C9 | C9M | H14 | 109.5° | 109.5° |
| C9 | C6 | N5 | 103.1° | 104.5° |
| C9 | C6 | C7 | 117.1° | 111.4° |
| C9 | C6 | H6 | 109.5° | 112.0° |
| C6 | C9 | H11 | 109.3° | 110.8° |
| C6 | N5 | C4A | 115.7° | 121.6° |
| N5 | C6 | C7 | 106.4° | 106.1° |
| N5 | C6 | H6 | 110.7° | 111.3° |
| N5 | C4A | C4 | 124.4° | 123.1° |
| N5 | C4A | C8A | 117.1° | 117.3° |
| C4A | C4 | N3 | 118.9° | 118.3° |
| C4 | C4A | C8A | 118.6° | 119.6° |
| C4 | N3 | C2 | 121.8° | 120.0° |
| C4 | N3 | H3 | 119.1° | 120.0° |
| C6 | C7 | C7M | 113.0° | 109.7° |
| C6 | C7 | N8 | 108.7° | 108.2° |
| C7 | C6 | H6 | 109.7° | 111.2° |
| C6 | C7 | H7 | 107.8° | 109.8° |
| C4A | C8A | N8 | 121.6° | 120.0° |
| C4A | C8A | N1 | 119.5° | 119.0° |
| N3 | C2 | N1 | 119.7° | 121.9° |
| N3 | C2 | NA2 | 119.4° | 119.1° |
| C2 | N3 | H3 | 119.1° | 120.0° |
| C7M | C7 | N8 | 110.5° | 109.7° |
| C7M | C7 | H7 | 107.9° | 109.7° |
| C7 | C7M | H8 | 109.5° | 109.5° |
| C7 | C7M | H9 | 109.5° | 109.5° |
| C7 | C7M | H10 | 109.5° | 109.5° |
| C7 | N8 | C8A | 121.0° | 121.1° |
| N8 | C7 | H7 | 108.8° | 109.7° |
| C7 | N8 | H4 | 106.5° | 119.5° |
| N8 | C8A | N1 | 118.8° | 121.0° |
| C8A | N8 | H4 | 106.5° | 119.5° |
| C8A | N1 | C2 | 121.5° | 121.1° |
| N1 | C2 | NA2 | 120.9° | 119.1° |
| C2 | NA2 | H1 | 120.0° | 120.0° |
| C2 | NA2 | H2 | 120.0° | 120.0° |
| H1 | NA2 | H2 | 120.0° | 120.1° |
| H8 | C7M | H9 | 109.4° | 109.4° |
| H8 | C7M | H10 | 109.5° | 109.5° |
| H9 | C7M | H10 | 109.5° | 109.5° |
| H12 | C9M | H13 | 109.4° | 109.5° |
| H12 | C9M | H14 | 109.5° | 109.5° |
| H13 | C9M | H14 | 109.4° | 109.4° |
| H15 | C10 | H16 | 109.5° | 110.0° |
| H21 | CX1 | H22 | 109.5° | 109.5° |
| H26 | CX5 | H27 | 109.5° | 109.5° |
| H31 | C5J | H32 | 109.5° | 109.5° |
| O3A | CP1 | CP3 | 90.0° | 109.5° |
| O3A | CP1 | CP2 | 90.0° | 109.5° |
| O3A | CP1 | H5 | 90.0° | 109.5° |
| CP3 | CP1 | CP2 | 90.0° | 109.5° |
| CP3 | CP1 | H5 | 90.0° | 109.5° |
| CP1 | CP3 | H39 | 90.0° | 109.5° |
| CP1 | CP3 | H41 | 90.0° | 109.5° |
| CP1 | CP3 | CP4 | 90.0° | 109.5° |
| CP2 | CP1 | H5 | 90.0° | 109.4° |
| CP1 | CP2 | OP1 | 90.0° | 120.0° |
| CP1 | CP2 | OP2 | 90.0° | 120.0° |
| H39 | CP3 | H41 | 90.0° | 109.5° |
| H39 | CP3 | CP4 | 90.0° | 109.4° |
| H41 | CP3 | CP4 | 90.0° | 109.4° |
| OP1 | CP2 | OP2 | 90.0° | 120.0° |
| CP2 | OP2 | H42 | 90.0° | 117.0° |
| CP3 | CP4 | CP5 | 90.0° | 109.5° |
| CP3 | CP4 | H43 | 90.0° | 109.5° |
| CP3 | CP4 | H44 | 90.0° | 109.5° |
| CP4 | CP5 | OP5 | 90.0° | 120.0° |
| CP4 | CP5 | OPX | 90.0° | 120.0° |
| CP5 | CP4 | H43 | 90.0° | 109.4° |
| CP5 | CP4 | H44 | 90.0° | 109.5° |
| OP5 | CP5 | OPX | 90.0° | 120.0° |
| CP5 | OPX | H45 | 90.0° | 117.1° |
| H43 | CP4 | H44 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3A | PA | O5J | C5J | 14.3° | 175.0° |
| O3A | PA | O1A | O5J | 113.9° | 120.0° |
| O3A | PA | O1A | O2A | 135.9° | 120.0° |
| O3A | PA | O5J | O2A | 120.6° | 120.0° |
| O3A | PA | O2A | H40 | 134.6° | 60.1° |
| PA | O3A | CP1 | CP3 | 90.0° | 120.0° |
| PA | O3A | CP1 | CP2 | 90.0° | 120.0° |
| PA | O3A | CP1 | H5 | 90.0° | 0.1° |
| O5J | C5J | C4J | H31 | 120.3° | 120.0° |
| O5J | C5J | C4J | H32 | 120.3° | 120.0° |
| C5J | O5J | PA | O1A | 105.0° | 55.0° |
| C5J | O5J | PA | O2A | 134.9° | 65.0° |
| O5J | C5J | C4J | O4J | 80.5° | 66.5° |
| O5J | C5J | C4J | C3J | 40.0° | 175.4° |
| O5J | C5J | H31 | H32 | 119.2° | 120.0° |
| O5J | C5J | C4J | H33 | 160.6° | 54.5° |
| C4J | C5J | O5J | PA | 159.2° | 180.0° |
| C5J | C4J | O4J | C3J | 125.9° | 119.5° |
| C5J | C4J | O4J | H33 | 118.2° | 120.9° |
| C5J | C4J | C3J | H33 | 120.5° | 120.9° |
| C5J | C4J | O4J | C1J | 139.2° | 117.8° |
| C5J | C4J | C3J | O3J | 131.8° | 100.9° |
| C5J | C4J | C3J | C2J | 113.9° | 140.9° |
| C4J | C5J | H31 | H32 | 119.1° | 120.0° |
| C5J | C4J | C3J | H34 | 6.6° | 22.5° |
| O1A | PA | O5J | O2A | 120.0° | 120.1° |
| O1A | PA | O2A | H40 | 0.0° | 180.0° |
| O1A | PA | O3A | CP1 | 77.5° | 55.0° |
| PA | O5J | C5J | H31 | 80.5° | 60.0° |
| PA | O5J | C5J | H32 | 39.0° | 60.0° |
| O5J | PA | O2A | H40 | 112.7° | 59.9° |
| O5J | PA | O3A | CP1 | 36.5° | 175.0° |
| O2A | PA | O3A | CP1 | 146.9° | 65.0° |
| O4J | C4J | C3J | H33 | 116.8° | 119.6° |
| C4J | O4J | C1J | OX5 | 91.6° | 143.3° |
| C4J | O4J | C1J | C2J | 29.9° | 24.4° |
| O4J | C4J | C3J | O3J | 105.5° | 139.6° |
| O4J | C4J | C3J | C2J | 8.7° | 21.3° |
| O4J | C4J | C5J | H31 | 159.3° | 53.5° |
| O4J | C4J | C5J | H32 | 39.8° | 173.5° |
| O4J | C4J | C3J | H34 | 129.2° | 97.0° |
| C4J | O4J | C1J | H38 | 147.7° | 94.6° |
| C3J | C4J | O4J | C1J | 13.4° | 1.7° |
| C4J | C3J | C2J | C1J | 25.2° | 34.1° |
| C4J | C3J | O3J | C2J | 113.6° | 112.8° |
| C4J | C3J | O3J | H34 | 124.4° | 123.5° |
| C4J | C3J | C2J | H34 | 120.4° | 118.2° |
| C4J | C3J | C2J | O2J | 148.4° | 83.8° |
| C3J | C4J | C5J | H31 | 80.2° | 64.6° |
| C3J | C4J | C5J | H32 | 160.3° | 55.4° |
| C4J | C3J | O3J | H35 | 180.0° | 180.0° |
| C4J | C3J | C2J | H36 | 89.4° | 152.1° |
| O4J | C1J | OX5 | CX5 | 88.0° | 71.5° |
| O4J | C1J | OX5 | C2J | 115.4° | 115.7° |
| O4J | C1J | OX5 | H38 | 120.8° | 122.1° |
| O4J | C1J | C2J | H38 | 118.9° | 118.9° |
| O4J | C1J | C2J | C3J | 33.5° | 36.4° |
| O4J | C1J | C2J | O2J | 155.9° | 81.5° |
| C1J | O4J | C4J | H33 | 102.6° | 121.3° |
| O4J | C1J | C2J | H36 | 81.3° | 154.4° |
| OX5 | CX5 | CX4 | H26 | 120.3° | 120.0° |
| OX5 | CX5 | CX4 | H27 | 120.3° | 120.0° |
| CX5 | OX5 | C1J | C2J | 156.6° | 172.8° |
| OX5 | CX5 | CX4 | OX4 | 43.7° | 65.0° |
| OX5 | CX5 | CX4 | CX3 | 146.0° | 175.0° |
| OX5 | CX5 | CX4 | H25 | 51.0° | 55.0° |
| OX5 | CX5 | H26 | H27 | 119.0° | 120.0° |
| CX5 | OX5 | C1J | H38 | 32.8° | 50.6° |
| CX4 | CX5 | OX5 | C1J | 154.8° | 180.0° |
| CX5 | CX4 | OX4 | CX3 | 171.1° | 120.0° |
| CX5 | CX4 | OX4 | H25 | 94.7° | 120.0° |
| CX5 | CX4 | CX3 | H25 | 94.9° | 120.0° |
| CX5 | CX4 | CX3 | OX3 | 11.1° | 60.0° |
| CX5 | CX4 | CX3 | CX2 | 126.9° | 180.0° |
| CX5 | CX4 | CX3 | H24 | 117.4° | 59.9° |
| CX4 | CX5 | H26 | H27 | 119.0° | 120.0° |
| CX5 | CX4 | OX4 | H30 | 180.0° | 60.0° |
| OX5 | C1J | C2J | H38 | 124.6° | 122.1° |
| OX5 | C1J | C2J | C3J | 83.0° | 155.3° |
| OX5 | C1J | C2J | O2J | 39.5° | 37.4° |
| C1J | OX5 | CX5 | H26 | 84.9° | 60.0° |
| C1J | OX5 | CX5 | H27 | 34.5° | 60.0° |
| OX5 | C1J | C2J | H36 | 162.2° | 86.7° |
| C1J | C2J | C3J | O3J | 91.5° | 152.3° |
| C1J | C2J | C3J | O2J | 123.1° | 117.9° |
| C1J | C2J | C3J | H36 | 114.6° | 118.0° |
| C1J | C2J | O2J | H36 | 122.1° | 124.2° |
| C1J | C2J | C3J | H34 | 145.6° | 84.1° |
| C1J | C2J | O2J | H37 | 180.0° | 68.5° |
| OX4 | CX4 | CX3 | H25 | 94.3° | 120.0° |
| OX4 | CX4 | CX3 | OX3 | 178.1° | 180.0° |
| OX4 | CX4 | CX3 | CX2 | 62.3° | 60.0° |
| OX4 | CX4 | CX3 | H24 | 53.4° | 60.1° |
| OX4 | CX4 | CX5 | H26 | 76.6° | 175.0° |
| OX4 | CX4 | CX5 | H27 | 164.0° | 55.0° |
| CX4 | CX3 | OX3 | CX2 | 109.1° | 120.0° |
| CX4 | CX3 | OX3 | H24 | 127.9° | 119.9° |
| CX4 | CX3 | CX2 | H24 | 115.9° | 120.0° |
| CX4 | CX3 | CX2 | OX2 | 53.3° | 60.0° |
| CX4 | CX3 | CX2 | CX1 | 173.9° | 180.0° |
| CX4 | CX3 | CX2 | H23 | 66.0° | 60.0° |
| CX3 | CX4 | CX5 | H26 | 93.7° | 55.1° |
| CX3 | CX4 | CX5 | H27 | 25.7° | 65.0° |
| CX4 | CX3 | OX3 | H29 | 180.0° | 60.1° |
| CX3 | CX4 | OX4 | H30 | 9.0° | 60.0° |
| O3J | C3J | C2J | H34 | 122.9° | 123.5° |
| O3J | C3J | C2J | O2J | 31.6° | 34.4° |
| O3J | C3J | C4J | H33 | 11.3° | 20.0° |
| O3J | C3J | C2J | H36 | 153.9° | 89.7° |
| C3J | C2J | O2J | H36 | 121.7° | 124.2° |
| C2J | C3J | C4J | H33 | 125.6° | 98.2° |
| C2J | C3J | O3J | H35 | 66.4° | 67.1° |
| C3J | C2J | O2J | H37 | 63.8° | 180.0° |
| C3J | C2J | C1J | H38 | 152.4° | 82.5° |
| OX3 | CX3 | CX2 | H24 | 123.7° | 120.0° |
| OX3 | CX3 | CX2 | OX2 | 173.7° | 180.0° |
| OX3 | CX3 | CX2 | CX1 | 65.7° | 60.0° |
| OX3 | CX3 | CX2 | H23 | 54.5° | 60.0° |
| OX3 | CX3 | CX4 | H25 | 83.8° | 60.0° |
| CX3 | CX2 | OX2 | CX1 | 118.2° | 119.9° |
| CX3 | CX2 | OX2 | H23 | 118.6° | 120.0° |
| CX3 | CX2 | CX1 | H23 | 120.2° | 120.0° |
| CX3 | CX2 | CX1 | C11 | 174.7° | 175.0° |
| CX3 | CX2 | CX1 | H21 | 64.7° | 55.1° |
| CX3 | CX2 | CX1 | H22 | 54.0° | 64.9° |
| CX2 | CX3 | CX4 | H25 | 31.9° | 60.0° |
| CX3 | CX2 | OX2 | H28 | 180.0° | 60.0° |
| CX2 | CX3 | OX3 | H29 | 70.9° | 59.9° |
| O2J | C2J | C3J | H34 | 91.2° | 158.0° |
| O2J | C2J | C1J | H38 | 85.1° | 159.6° |
| OX2 | CX2 | CX1 | H23 | 123.8° | 120.0° |
| OX2 | CX2 | CX1 | C11 | 69.3° | 65.0° |
| OX2 | CX2 | CX1 | H21 | 51.3° | 175.0° |
| OX2 | CX2 | CX1 | H22 | 170.0° | 55.0° |
| OX2 | CX2 | CX3 | H24 | 62.6° | 60.0° |
| CX2 | CX1 | C11 | H21 | 120.6° | 120.0° |
| CX2 | CX1 | C11 | H22 | 120.7° | 120.0° |
| CX2 | CX1 | C11 | C16 | 118.5° | 90.0° |
| CX2 | CX1 | C11 | C12 | 63.4° | 89.7° |
| CX2 | CX1 | H21 | H22 | 117.9° | 120.1° |
| CX1 | CX2 | CX3 | H24 | 58.0° | 59.9° |
| CX1 | CX2 | OX2 | H28 | 61.8° | 60.0° |
| CX1 | C11 | C16 | C12 | 178.2° | 179.7° |
| CX1 | C11 | C16 | C15 | 178.4° | 179.7° |
| CX1 | C11 | C12 | C13 | 178.1° | 179.7° |
| CX1 | C11 | C12 | H17 | 1.9° | 0.3° |
| CX1 | C11 | C16 | H20 | 1.6° | 0.2° |
| C11 | CX1 | H21 | H22 | 118.0° | 120.0° |
| C11 | CX1 | CX2 | H23 | 54.5° | 55.0° |
| C11 | C16 | C15 | H20 | 180.0° | 180.0° |
| C16 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C16 | C15 | C14 | 0.4° | 0.0° |
| C16 | C11 | C12 | H17 | 180.0° | 180.0° |
| C11 | C16 | C15 | H19 | 179.6° | 180.0° |
| C16 | C11 | CX1 | H21 | 2.2° | 150.0° |
| C16 | C11 | CX1 | H22 | 120.8° | 30.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.0° |
| C11 | C12 | C13 | H17 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C11 | C12 | C13 | H18 | 179.3° | 180.0° |
| C12 | C11 | C16 | H20 | 179.8° | 180.0° |
| C12 | C11 | CX1 | H21 | 176.0° | 30.3° |
| C12 | C11 | CX1 | H22 | 57.3° | 150.3° |
| C16 | C15 | C14 | H19 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 1.1° | 0.0° |
| C16 | C15 | C14 | N10 | 179.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H18 | 180.0° | 180.0° |
| C12 | C13 | C14 | N10 | 179.2° | 180.0° |
| C15 | C14 | C13 | N10 | 177.9° | 180.0° |
| C15 | C14 | N10 | C10 | 25.8° | 120.1° |
| C15 | C14 | N10 | C9 | 176.0° | 5.7° |
| C15 | C14 | C13 | H18 | 178.7° | 180.0° |
| C14 | C15 | C16 | H20 | 179.7° | 180.0° |
| C13 | C14 | N10 | C10 | 156.4° | 59.8° |
| C13 | C14 | N10 | C9 | 6.1° | 174.3° |
| C14 | C13 | C12 | H17 | 179.2° | 180.0° |
| C13 | C14 | C15 | H19 | 178.9° | 180.0° |
| C14 | N10 | C10 | C9 | 154.8° | 119.1° |
| C14 | N10 | C10 | N5 | 152.2° | 152.0° |
| C14 | N10 | C9 | C9M | 66.4° | 83.6° |
| C14 | N10 | C9 | C6 | 173.0° | 158.3° |
| C14 | N10 | C9 | H11 | 55.8° | 40.0° |
| C14 | N10 | C10 | H15 | 32.1° | 88.6° |
| C14 | N10 | C10 | H16 | 87.7° | 32.8° |
| N10 | C14 | C13 | H18 | 0.9° | 0.0° |
| N10 | C14 | C15 | H19 | 1.0° | 0.0° |
| N10 | C10 | N5 | H15 | 120.1° | 119.3° |
| N10 | C10 | N5 | H16 | 120.0° | 119.3° |
| C10 | N10 | C9 | C9M | 139.0° | 157.3° |
| C10 | N10 | C9 | C6 | 18.3° | 39.1° |
| N10 | C10 | N5 | C6 | 23.8° | 12.8° |
| N10 | C10 | N5 | C4A | 162.1° | 171.3° |
| C10 | N10 | C9 | H11 | 98.8° | 79.2° |
| N10 | C10 | H15 | H16 | 119.8° | 121.4° |
| C9 | N10 | C10 | N5 | 2.6° | 32.9° |
| N10 | C9 | C9M | C6 | 116.3° | 112.9° |
| N10 | C9 | C9M | H11 | 122.6° | 123.7° |
| N10 | C9 | C6 | H11 | 117.9° | 118.4° |
| N10 | C9 | C6 | N5 | 32.6° | 31.4° |
| N10 | C9 | C6 | C7 | 149.1° | 145.6° |
| N10 | C9 | C6 | H6 | 85.3° | 89.2° |
| N10 | C9 | C9M | H12 | 180.0° | 52.9° |
| N10 | C9 | C9M | H13 | 60.0° | 67.1° |
| N10 | C9 | C9M | H14 | 60.0° | 172.9° |
| C9 | N10 | C10 | H15 | 122.7° | 152.2° |
| C9 | N10 | C10 | H16 | 117.4° | 86.4° |
| C10 | N5 | C6 | C9 | 34.0° | 11.7° |
| C10 | N5 | C6 | C4A | 143.5° | 176.3° |
| C10 | N5 | C4A | C4 | 15.6° | 23.6° |
| C10 | N5 | C6 | C7 | 157.8° | 129.6° |
| C10 | N5 | C4A | C8A | 164.5° | 155.9° |
| C10 | N5 | C6 | H6 | 83.1° | 109.3° |
| N5 | C10 | H15 | H16 | 119.8° | 121.4° |
| OH4 | C4 | C4A | N5 | 1.7° | 0.8° |
| OH4 | C4 | C4A | N3 | 177.6° | 180.0° |
| OH4 | C4 | C4A | C8A | 178.5° | 179.8° |
| OH4 | C4 | N3 | C2 | 179.3° | 179.8° |
| OH4 | C4 | N3 | H3 | 0.7° | 0.3° |
| C9M | C9 | C6 | H11 | 121.2° | 123.4° |
| C9M | C9 | C6 | N5 | 153.6° | 149.6° |
| C9M | C9 | C6 | C7 | 90.0° | 96.3° |
| C9M | C9 | C6 | H6 | 35.6° | 29.0° |
| C9 | C9M | H12 | H13 | 120.0° | 120.0° |
| C9 | C9M | H12 | H14 | 120.0° | 120.0° |
| C9 | C9M | H13 | H14 | 120.0° | 120.0° |
| C9 | C6 | N5 | C7 | 123.8° | 117.8° |
| C9 | C6 | N5 | H6 | 117.1° | 121.0° |
| C9 | C6 | N5 | C4A | 177.5° | 164.6° |
| C9 | C6 | C7 | H6 | 125.6° | 125.7° |
| C9 | C6 | C7 | C7M | 66.4° | 72.7° |
| C9 | C6 | C7 | N8 | 170.5° | 167.6° |
| C9 | C6 | C7 | H7 | 52.8° | 48.0° |
| C6 | C9 | C9M | H12 | 63.7° | 60.0° |
| C6 | C9 | C9M | H13 | 56.3° | 180.0° |
| C6 | C9 | C9M | H14 | 176.3° | 60.0° |
| C6 | N5 | C4A | C4 | 150.1° | 161.0° |
| N5 | C6 | C7 | H6 | 119.8° | 121.2° |
| C6 | N5 | C4A | C8A | 30.1° | 19.5° |
| N5 | C6 | C7 | C7M | 179.0° | 174.2° |
| N5 | C6 | C7 | N8 | 55.9° | 54.5° |
| N5 | C6 | C7 | H7 | 61.9° | 65.2° |
| N5 | C6 | C9 | H11 | 85.2° | 87.0° |
| C6 | N5 | C10 | H15 | 143.9° | 132.1° |
| C6 | N5 | C10 | H16 | 96.2° | 106.5° |
| N5 | C4A | C4 | C8A | 179.8° | 179.5° |
| N5 | C4A | C4 | N3 | 179.3° | 179.2° |
| C4A | N5 | C6 | C7 | 58.7° | 46.8° |
| N5 | C4A | C8A | N8 | 1.7° | 1.3° |
| N5 | C4A | C8A | N1 | 178.6° | 178.9° |
| C4A | N5 | C6 | H6 | 60.4° | 74.4° |
| C4A | N5 | C10 | H15 | 77.8° | 52.0° |
| C4A | N5 | C10 | H16 | 42.1° | 69.4° |
| C4A | C4 | N3 | C2 | 1.5° | 0.1° |
| C4 | C4A | C8A | N8 | 178.1° | 179.2° |
| C4 | C4A | C8A | N1 | 1.2° | 0.6° |
| C4A | C4 | N3 | H3 | 178.5° | 179.7° |
| N3 | C4 | C4A | C8A | 0.8° | 0.3° |
| C4 | N3 | C2 | H3 | 180.0° | 179.8° |
| C4 | N3 | C2 | N1 | 0.1° | 0.2° |
| C4 | N3 | C2 | NA2 | 179.5° | 179.7° |
| C6 | C7 | C7M | N8 | 122.0° | 118.7° |
| C6 | C7 | C7M | H7 | 119.1° | 120.7° |
| C6 | C7 | N8 | H7 | 117.1° | 119.7° |
| C6 | C7 | N8 | C8A | 29.5° | 44.0° |
| C6 | C7 | C7M | H8 | 180.0° | 60.0° |
| C6 | C7 | C7M | H9 | 60.0° | 180.0° |
| C6 | C7 | C7M | H10 | 60.0° | 60.0° |
| C7 | C6 | C9 | H11 | 31.2° | 27.1° |
| C6 | C7 | N8 | H4 | 92.1° | 135.9° |
| C4A | C8A | N8 | C7 | 0.3° | 15.9° |
| C4A | C8A | N8 | N1 | 176.9° | 179.8° |
| C4A | C8A | N1 | C2 | 2.7° | 0.5° |
| C4A | C8A | N8 | H4 | 121.9° | 164.1° |
| N3 | C2 | N1 | C8A | 2.1° | 0.1° |
| N3 | C2 | N1 | NA2 | 179.6° | 179.9° |
| N3 | C2 | NA2 | H1 | 179.6° | 179.9° |
| N3 | C2 | NA2 | H2 | 0.4° | 0.0° |
| C7M | C7 | N8 | H7 | 118.3° | 120.6° |
| C7M | C7 | N8 | C8A | 154.1° | 163.7° |
| C7M | C7 | C6 | H6 | 59.2° | 53.0° |
| C7 | C7M | H8 | H9 | 120.0° | 120.0° |
| C7 | C7M | H8 | H10 | 120.0° | 120.0° |
| C7 | C7M | H9 | H10 | 120.0° | 120.1° |
| C7M | C7 | N8 | H4 | 32.5° | 16.3° |
| C7 | N8 | C8A | H4 | 121.6° | 180.0° |
| C7 | N8 | C8A | N1 | 177.2° | 164.3° |
| N8 | C7 | C6 | H6 | 63.9° | 66.7° |
| N8 | C7 | C7M | H8 | 58.0° | 178.8° |
| N8 | C7 | C7M | H9 | 62.0° | 61.3° |
| N8 | C7 | C7M | H10 | 178.0° | 58.7° |
| N8 | C8A | N1 | C2 | 179.7° | 179.3° |
| C8A | N8 | C7 | H7 | 87.6° | 75.7° |
| C8A | N1 | C2 | NA2 | 178.3° | 180.0° |
| N1 | C8A | N8 | H4 | 61.2° | 15.8° |
| N1 | C2 | NA2 | H1 | 0.0° | 0.0° |
| N1 | C2 | NA2 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | H3 | 179.9° | 179.6° |
| C2 | NA2 | H1 | H2 | 180.0° | 179.9° |
| NA2 | C2 | N3 | H3 | 0.5° | 0.5° |
| H6 | C6 | C7 | H7 | 178.3° | 173.6° |
| H6 | C6 | C9 | H11 | 156.9° | 152.4° |
| H7 | C7 | C7M | H8 | 60.9° | 60.6° |
| H7 | C7 | C7M | H9 | 179.1° | 59.3° |
| H7 | C7 | C7M | H10 | 59.1° | 179.3° |
| H7 | C7 | N8 | H4 | 150.8° | 104.3° |
| H8 | C7M | H9 | H10 | 120.0° | 120.0° |
| H11 | C9 | C9M | H12 | 57.4° | 176.6° |
| H11 | C9 | C9M | H13 | 177.4° | 56.6° |
| H11 | C9 | C9M | H14 | 62.6° | 63.4° |
| H12 | C9M | H13 | H14 | 120.0° | 120.0° |
| H17 | C12 | C13 | H18 | 0.7° | 0.1° |
| H19 | C15 | C16 | H20 | 0.4° | 0.1° |
| H21 | CX1 | CX2 | H23 | 175.1° | 64.9° |
| H22 | CX1 | CX2 | H23 | 66.2° | 175.0° |
| H23 | CX2 | CX3 | H24 | 178.2° | 180.0° |
| H23 | CX2 | OX2 | H28 | 61.4° | 180.0° |
| H24 | CX3 | CX4 | H25 | 147.7° | 179.9° |
| H24 | CX3 | OX3 | H29 | 52.1° | 180.0° |
| H25 | CX4 | CX5 | H26 | 171.4° | 64.9° |
| H25 | CX4 | CX5 | H27 | 69.3° | 175.0° |
| H25 | CX4 | OX4 | H30 | 85.3° | 180.0° |
| H31 | C5J | C4J | H33 | 40.3° | 174.5° |
| H32 | C5J | C4J | H33 | 79.1° | 65.5° |
| H33 | C4J | C3J | H34 | 113.9° | 143.4° |
| H34 | C3J | O3J | H35 | 55.6° | 56.6° |
| H34 | C3J | C2J | H36 | 31.0° | 33.8° |
| H36 | C2J | O2J | H37 | 57.9° | 55.8° |
| H36 | C2J | C1J | H38 | 37.7° | 35.4° |
| O3A | CP1 | CP3 | CP2 | 90.0° | 120.0° |
| O3A | CP1 | CP3 | H5 | 90.0° | 120.0° |
| O3A | CP1 | CP2 | H5 | 90.0° | 119.9° |
| O3A | CP1 | CP3 | H39 | 90.0° | 55.0° |
| O3A | CP1 | CP3 | H41 | 90.0° | 175.0° |
| O3A | CP1 | CP2 | OP1 | 90.0° | 0.0° |
| O3A | CP1 | CP2 | OP2 | 90.0° | 180.0° |
| O3A | CP1 | CP3 | CP4 | 90.0° | 65.0° |
| CP3 | CP1 | CP2 | H5 | 90.0° | 120.0° |
| CP1 | CP3 | H39 | H41 | 90.0° | 120.1° |
| CP1 | CP3 | H39 | CP4 | 90.0° | 120.0° |
| CP1 | CP3 | H41 | CP4 | 90.0° | 120.0° |
| CP3 | CP1 | CP2 | OP1 | 90.0° | 120.0° |
| CP3 | CP1 | CP2 | OP2 | 90.0° | 60.0° |
| CP1 | CP3 | CP4 | CP5 | 90.0° | 180.0° |
| CP1 | CP3 | CP4 | H43 | 90.0° | 60.0° |
| CP1 | CP3 | CP4 | H44 | 90.0° | 60.0° |
| CP2 | CP1 | CP3 | H39 | 90.0° | 65.0° |
| CP2 | CP1 | CP3 | H41 | 90.0° | 55.0° |
| CP1 | CP2 | OP1 | OP2 | 90.0° | 180.0° |
| CP2 | CP1 | CP3 | CP4 | 90.0° | 175.0° |
| CP1 | CP2 | OP2 | H42 | 90.0° | 180.0° |
| H5 | CP1 | CP3 | H39 | 90.0° | 175.0° |
| H5 | CP1 | CP3 | H41 | 90.0° | 64.9° |
| H5 | CP1 | CP2 | OP1 | 90.0° | 120.0° |
| H5 | CP1 | CP2 | OP2 | 90.0° | 60.1° |
| H5 | CP1 | CP3 | CP4 | 90.0° | 55.0° |
| H39 | CP3 | H41 | CP4 | 90.0° | 120.0° |
| H39 | CP3 | CP4 | CP5 | 90.0° | 60.0° |
| H39 | CP3 | CP4 | H43 | 90.0° | 180.0° |
| H39 | CP3 | CP4 | H44 | 90.0° | 60.0° |
| H41 | CP3 | CP4 | CP5 | 90.0° | 60.0° |
| H41 | CP3 | CP4 | H43 | 90.0° | 60.0° |
| H41 | CP3 | CP4 | H44 | 90.0° | 180.0° |
| OP1 | CP2 | OP2 | H42 | 90.0° | 0.0° |
| CP3 | CP4 | CP5 | H43 | 90.0° | 120.0° |
| CP3 | CP4 | CP5 | H44 | 90.0° | 120.0° |
| CP3 | CP4 | CP5 | OP5 | 90.0° | 0.1° |
| CP3 | CP4 | CP5 | OPX | 90.0° | 180.0° |
| CP3 | CP4 | H43 | H44 | 90.0° | 120.0° |
| CP4 | CP5 | OP5 | OPX | 90.0° | 179.9° |
| CP5 | CP4 | H43 | H44 | 90.0° | 120.0° |
| CP4 | CP5 | OPX | H45 | 90.0° | 180.0° |
| OP5 | CP5 | CP4 | H43 | 90.0° | 120.1° |
| OP5 | CP5 | CP4 | H44 | 90.0° | 120.0° |
| OP5 | CP5 | OPX | H45 | 90.0° | 0.1° |
| OPX | CP5 | CP4 | H43 | 90.0° | 60.0° |
| OPX | CP5 | CP4 | H44 | 90.0° | 59.9° |
